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Phys. Rev. B 73, 235107 (2006) [22 pages]

Ferromagnetism, paramagnetism, and a Curie-Weiss metal in an electron-doped Hubbard model on a triangular lattice

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J. Merino1, B. J. Powell2, and Ross H. McKenzie2
1Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, Madrid 28049, Spain
2Department of Physics, University of Queensland, Brisbane, Qld 4072, Australia

Received 4 January 2006; revised 27 April 2006; published 8 June 2006

Motivated by the unconventional properties and rich phase diagram of NaxCoO2 we consider the electronic and magnetic properties of a two-dimensional Hubbard model on an isotropic triangular lattice doped with electrons away from half-filling. Dynamical mean-field theory (DMFT) calculations predict that for negative intersite hopping amplitudes (t<0) and an on-site Coulomb repulsion, U, comparable to the bandwidth, the system displays properties typical of a weakly correlated metal. In contrast, for t>0 a large enhancement of the effective mass, itinerant ferromagnetism, and a metallic phase with a Curie-Weiss magnetic susceptibility are found in a broad electron doping range. The different behavior encountered is a consequence of the larger noninteracting density of states (DOS) at the Fermi level for t>0 than for t<0, which effectively enhances the mass and the scattering amplitude of the quasiparticles. The shape of the DOS is crucial for the occurrence of ferromagnetism as for t>0 the energy cost of polarizing the system is much smaller than for t<0. Our observation of Nagaoka ferromagnetism is consistent with the A-type antiferromagnetism (i.e., ferromagnetic layers stacked antiferromagnetically) observed in neutron scattering experiments on NaxCoO2. The transport and magnetic properties measured in NaxCoO2 are consistent with DMFT predictions of a metal close to the Mott insulator and we discuss the role of Na ordering in driving the system towards the Mott transition. We propose that the “Curie-Weiss metal” phase observed in NaxCoO2 is a consequence of the crossover from a “bad metal” with incoherent quasiparticles at temperatures T>T* and Fermi liquid behavior with enhanced parameters below T*, where T* is a low energy coherence scale induced by strong local Coulomb electron correlations. Our analysis also shows that the one band Hubbard model on a triangular lattice is not enough to describe the unusual properties of NaxCoO2 and is used to identify the simplest relevant model that captures the essential physics in NaxCoO2. We propose a model which allows for the Na ordering phenomena observed in the system which, we propose, drives the system close to the Mott insulating phase even at large dopings.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.73.235107
DOI:
10.1103/PhysRevB.73.235107
PACS:
71.10.Hf, 71.30.+h